Hi Is there any way to make modeller "skip" to the nth model ( in my case #5). I want to do this in order to perform loop modelling on this model only. Alternatively, could I load a previously generated model and run loop modelling, using an alignment to specify the loop regions.
Hello Gordon,
Loop modeling can be run automatically as a command from a default model routine (SET DO_LOOPS=1), but also as a stand alone version.
you can find the routine in $MODINSTALL6v1/bin/__loop.top
There are comments inside of this top file. This is a standalone verion, takes a coordinate file as and input and you need to specify the loop region(s) by starting and ending residues. There is no alignmnet info required, because the loop module using an ab initio approach for modeling.
Andras
Gordon Wells wrote: > > Hi > Is there any way to make modeller "skip" to the nth model ( in my case #5). > I want to do this in order to perform loop modelling on this model only. > Alternatively, could I load a previously generated model and run loop > modelling, using an alignment to specify the loop regions.
-- , Andras Fiser, PhD # phone: (212) 327 7216 The Rockefeller University # fax: (212) 327 7540 Box 270, 1230 York Avenue # e-mail:fisera@rockefeller.edu New York, NY 10021-6399, USA # http://salilab.org/~andras
participants (2)
-
fisera -
Gordon Wells